pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5200005	OCHEM	1	0	C(=CC=Nc1ccccc1)C=C[NH2+]c1ccccc1,C(=CC=[NH+]c1ccccc1)C=CNc1ccccc1	C(=CC=Nc1ccccc1)C=CNc1ccccc1	mol32789	C(=CC=Nc1ccccc1)C=CNc1ccccc1
8.52000045776367	QSARToolbox	1	0	C(=CC=Nc1ccccc1)C=C[NH2+]c1ccccc1,C(=CC=[NH+]c1ccccc1)C=CNc1ccccc1	C(=CC=Nc1ccccc1)C=CNc1ccccc1	mol32789	C(=CC=Nc1ccccc1)C=CNc1ccccc1